(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide

C11H19N3OS — CID 106047524

IUPAC(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h7,10H,3-6,12H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeySSUJSYRWPWNGBY-JTQLQIEISA-N
MW241.36 g/mol
LogP1.24
Rot. Bonds6

About (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide

(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (PubChem CID 106047524) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
PubChem CID106047524
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h7,10H,3-6,12H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeySSUJSYRWPWNGBY-JTQLQIEISA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 106045094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (CID 106047524) is (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)NCCc1csc(C)n1.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The InChIKey is SSUJSYRWPWNGBY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-10(12)11(15)13-6-5-9-7-16-8(2)14-9/h7,10H,3-6,12H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 106047524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).